[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O6/c1-15-5-10-18(19(13-15)25(29)30)24-21(27)14-31-22(28)12-11-20(26)16-6-8-17(9-7-16)23(2,3)4/h5-10,13H,11-12,14H2,1-4H3,(H,24,27)